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CHEBI:203358 - Chlorocatechelin A

ChEBI IDCHEBI:203358
ChEBI NameChlorocatechelin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30Cl2N6O11
Net Charge0
Average Mass673.463
Monoisotopic Mass672.13496
SMILESNC(=NCCC[C@@H](NC(=O)c1ccc(Cl)c(O)c1O)C(=O)N[C@H](CCCN(O)C=O)C(=O)O)NC(=O)c1ccc(Cl)c(O)c1O
InChIInChI=1S/C26H30Cl2N6O11/c27-14-7-5-12(18(36)20(14)38)22(40)31-16(24(42)32-17(25(43)44)4-2-10-34(45)11-35)3-1-9-30-26(29)33-23(41)13-6-8-15(28)21(39)19(13)37/h5-8,11,16-17,36-39,45H,1-4,9-10H2,(H,31,40)(H,32,42)(H,43,44)(H3,29,30,33,41)/t16-,17-/m1/s1
InChIKeyRNSXINHQKGRUDO-IAGOWNOFSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (25408968)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Chlorocatechelin A (CHEBI:203358) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2R)-2-[[(2R)-5-[[amino-[(4-chloro-2,3-dihydroxybenzoyl)amino]methylidene]amino]-2-[(4-chloro-2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-5-[ormyl(hydroxy)amino]pentanoic acid
Manual XrefsDatabases
78437000ChemSpider